Compound Identification
SMILES
COCOC1=C(C=C(C)C=C1)[C@H](C)CCCOC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=PJQLKPTXPOLTNO-OAHLLOKOSA-N
Formula
C21H24N2O8
Mass
432.429
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzoic acids and derivatives
Alternative Parents
Benzoic acid esters Nitrobenzenes Phenoxy compounds Phenol ethers Benzoyl derivatives Nitroaromatic compounds Toluenes Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Acetals Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Toluene - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available